4-benzyl-N,N-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide

C16H19N3OS — CID 95043007

IUPAC4-benzyl-N,N-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1nc2c(s1)CCCN2Cc1ccccc1
InChIInChI=1S/C16H19N3OS/c1-18(2)16(20)15-17-14-13(21-15)9-6-10-19(14)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyFKMLQRBSAHKIAP-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.80
Rot. Bonds3

About 4-benzyl-N,N-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide

4-benzyl-N,N-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide (PubChem CID 95043007) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 4-benzyl-N,N-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N,N-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide
PubChem CID95043007
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name4-benzyl-N,N-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1nc2c(s1)CCCN2Cc1ccccc1
InChIInChI=1S/C16H19N3OS/c1-18(2)16(20)15-17-14-13(21-15)9-6-10-19(14)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyFKMLQRBSAHKIAP-UHFFFAOYSA-N
XLogP2.80
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N,N-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of 4-benzyl-N,N-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide (CID 95043007) is 4-benzyl-N,N-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-benzyl-N,N-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for 4-benzyl-N,N-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide is CN(C)C(=O)c1nc2c(s1)CCCN2Cc1ccccc1.
What is the InChIKey of 4-benzyl-N,N-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide?
The InChIKey is FKMLQRBSAHKIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-18(2)16(20)15-17-14-13(21-15)9-6-10-19(14)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3.
What are the key properties of 4-benzyl-N,N-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide?
4-benzyl-N,N-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N,N-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 95043007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).